methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate

C11H15N3O4 — CID 55005850

IUPACmethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1c[nH]c(=O)cn1)C(C)C
InChIInChI=1S/C11H15N3O4/c1-7(2)14(6-10(16)18-3)11(17)8-4-13-9(15)5-12-8/h4-5,7H,6H2,1-3H3,(H,13,15)
InChIKeyQPEUFRBCNQUIQO-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.21
Rot. Bonds4

About methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate (PubChem CID 55005850) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate
PubChem CID55005850
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1c[nH]c(=O)cn1)C(C)C
InChIInChI=1S/C11H15N3O4/c1-7(2)14(6-10(16)18-3)11(17)8-4-13-9(15)5-12-8/h4-5,7H,6H2,1-3H3,(H,13,15)
InChIKeyQPEUFRBCNQUIQO-UHFFFAOYSA-N
XLogP-0.21
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate (CID 55005850) is methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1c[nH]c(=O)cn1)C(C)C.
What is the InChIKey of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is QPEUFRBCNQUIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(2)14(6-10(16)18-3)11(17)8-4-13-9(15)5-12-8/h4-5,7H,6H2,1-3H3,(H,13,15).
What are the key properties of methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 253.26 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 55005850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).